Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems

Nano Research - Tập 9 - Trang 2598-2605 - 2016
Antonio Politano1, Miriam Serena Vitiello2, Leonardo Viti2, Jin Hu3, Zhiqiang Mao3, Jiang Wei3, Gennaro Chiarello1, Danil W. Boukhvalov4,5
1Department of Physics, University of Calabria, Rende CS, Italy
2Istituto Nanoscienze–CNR and Scuola Normale Superiore Piazza San Silvestro 12, NEST, Pisa, Italy
3Department of Physics and Engineering Physics, Tulane University, New Orleans, USA
4Department of Chemistry, Hanyang University, Seoul, Republic of Korea
5Theoretical Physics and Applied Mathematics Department, Ural Federal University, Ekaterinburg, Russia

Tóm tắt

By means of vibrational spectroscopy and density functional theory (DFT), we investigate CO adsorption on phosphorene-based systems. We find stable CO adsorption at room temperature on both phosphorene and bulk black phosphorus. The adsorption energy and vibrational spectrum are calculated for several possible configurations of the CO overlayer. We find that the vibrational spectrum is characterized by two different C–O stretching energies. The experimental data are in good agreement with the prediction of the DFT model and reveal the unusual C–O vibrational band at 165–180 meV, activated by the lateral interactions in the CO overlayer.

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Nano Research

Tập 9

2598-2605

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